N-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ium-1-yl-ethanamine CAS Name: N-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-N-methyl-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ium-1-ylethanamine Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(2-piperidin-1-ium-1-ylethyl)amine Formula: C22H35N4O3S+ MolecularWeight: 435.6033

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[NH+]1CCCCC1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

Isomeric SMILES

CN(CC[NH+]1CCCCC1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

InChI

InChI=1S/C22H34N4O3S/c1-24(13-14-25-11-7-4-8-12-25)19-21-17-23-22(30(27,28)16-15-29-2)26(21)18-20-9-5-3-6-10-20/h3,5-6,9-10,17H,4,7-8,11-16,18-19H2,1-2H3/p+1